N-(5-bromo-2-pyridinyl)-2-[2-[4-(N,N-dimethylcarbamimidoyl)phenyl]-2-oxoethyl]-5-(trifluoromethyl)benzamide

C24H20BrF3N4O2 — CID 159283407

IUPACN-(5-bromo-2-pyridinyl)-2-[2-[4-(N,N-dimethylcarbamimidoyl)phenyl]-2-oxoethyl]-5-(trifluoromethyl)benzamide
SMILES[H]/N=C(/c1ccc(C(=O)Cc2ccc(C(F)(F)F)cc2C(=O)Nc2ccc(Br)cn2)cc1)N(C)C
InChIInChI=1S/C24H20BrF3N4O2/c1-32(2)22(29)15-5-3-14(4-6-15)20(33)11-16-7-8-17(24(26,27)28)12-19(16)23(34)31-21-10-9-18(25)13-30-21/h3-10,12-13,29H,11H2,1-2H3,(H,30,31,34)/b29-22-
InChIKeyKZEYJJXTKIYJRW-IADYIPOJSA-N
MW533.35 g/mol
LogP5.43
Rot. Bonds6

About N-(5-bromo-2-pyridinyl)-2-[2-[4-(N,N-dimethylcarbamimidoyl)phenyl]-2-oxoethyl]-5-(trifluoromethyl)benzamide

N-(5-bromo-2-pyridinyl)-2-[2-[4-(N,N-dimethylcarbamimidoyl)phenyl]-2-oxoethyl]-5-(trifluoromethyl)benzamide (PubChem CID 159283407) has the molecular formula C24H20BrF3N4O2 and a molecular weight of 533.35 g/mol. Its IUPAC name is N-(5-bromo-2-pyridinyl)-2-[2-[4-(N,N-dimethylcarbamimidoyl)phenyl]-2-oxoethyl]-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(5-bromo-2-pyridinyl)-2-[2-[4-(N,N-dimethylcarbamimidoyl)phenyl]-2-oxoethyl]-5-(trifluoromethyl)benzamide
PubChem CID159283407
Molecular FormulaC24H20BrF3N4O2
Molecular Weight533.35 g/mol
Exact Mass532.07
IUPAC NameN-(5-bromo-2-pyridinyl)-2-[2-[4-(N,N-dimethylcarbamimidoyl)phenyl]-2-oxoethyl]-5-(trifluoromethyl)benzamide
SMILES[H]/N=C(/c1ccc(C(=O)Cc2ccc(C(F)(F)F)cc2C(=O)Nc2ccc(Br)cn2)cc1)N(C)C
InChIInChI=1S/C24H20BrF3N4O2/c1-32(2)22(29)15-5-3-14(4-6-15)20(33)11-16-7-8-17(24(26,27)28)12-19(16)23(34)31-21-10-9-18(25)13-30-21/h3-10,12-13,29H,11H2,1-2H3,(H,30,31,34)/b29-22-
InChIKeyKZEYJJXTKIYJRW-IADYIPOJSA-N
XLogP5.43
TPSA86.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500533.35
LogP ≤ 55.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N-(5-bromo-2-pyridinyl)-2-[2-[4-(N,N-dimethylcarbamimidoyl)phenyl]-2-oxoethyl]-5-(trifluoromethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Piketoprofen
CID 68801
N-(5-Bromo-2-pyridinyl)-1-naphthamide
CID 593268
N-[(2R)-4-[(5-bromo-2-pyridinyl)amino]-1,4-dioxo-1-piperidin-1-ylbutan-2-yl]-4-[2-[(dimethylamino)methyl]phenyl]benzamide
CID 44393410
N-(5-bromopyridin-2-yl)naphthalene-2-carboxamide
CID 792421
4-benzoyl-N-(3-methylpyridin-2-yl)benzamide
CID 9119219
4-benzoyl-N-pyridin-2-ylbenzamide
CID 17397380
4-benzoyl-N-(5-methylpyridin-2-yl)benzamide
CID 24980870
4-benzoyl-N-(4-methylpyridin-2-yl)benzamide
CID 24980950
N3-(6-aminopyridin-3-yl)-4-methyl-N1-(3-(trifluoromethyl)phenyl)isophthalamide
CID 44560547
N3-(6-acetamidopyridin-3-yl)-4-methyl-N1-(3-(trifluoromethyl)phenyl)isophthalamide
CID 44560588
N3-(6-aminopyridin-3-yl)-4-methyl-N1-(4-(trifluoromethyl)phenyl)isophthalamide
CID 44560589
4-bromo-2-methyl-N-pyridin-2-ylbenzamide
CID 47265818

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-pyridinyl)-2-[2-[4-(N,N-dimethylcarbamimidoyl)phenyl]-2-oxoethyl]-5-(trifluoromethyl)benzamide?
The IUPAC name of N-(5-bromo-2-pyridinyl)-2-[2-[4-(N,N-dimethylcarbamimidoyl)phenyl]-2-oxoethyl]-5-(trifluoromethyl)benzamide (CID 159283407) is N-(5-bromo-2-pyridinyl)-2-[2-[4-(N,N-dimethylcarbamimidoyl)phenyl]-2-oxoethyl]-5-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(5-bromo-2-pyridinyl)-2-[2-[4-(N,N-dimethylcarbamimidoyl)phenyl]-2-oxoethyl]-5-(trifluoromethyl)benzamide?
The canonical SMILES for N-(5-bromo-2-pyridinyl)-2-[2-[4-(N,N-dimethylcarbamimidoyl)phenyl]-2-oxoethyl]-5-(trifluoromethyl)benzamide is [H]/N=C(/c1ccc(C(=O)Cc2ccc(C(F)(F)F)cc2C(=O)Nc2ccc(Br)cn2)cc1)N(C)C.
What is the InChIKey of N-(5-bromo-2-pyridinyl)-2-[2-[4-(N,N-dimethylcarbamimidoyl)phenyl]-2-oxoethyl]-5-(trifluoromethyl)benzamide?
The InChIKey is KZEYJJXTKIYJRW-IADYIPOJSA-N. The full InChI is InChI=1S/C24H20BrF3N4O2/c1-32(2)22(29)15-5-3-14(4-6-15)20(33)11-16-7-8-17(24(26,27)28)12-19(16)23(34)31-21-10-9-18(25)13-30-21/h3-10,12-13,29H,11H2,1-2H3,(H,30,31,34)/b29-22-.
What are the key properties of N-(5-bromo-2-pyridinyl)-2-[2-[4-(N,N-dimethylcarbamimidoyl)phenyl]-2-oxoethyl]-5-(trifluoromethyl)benzamide?
N-(5-bromo-2-pyridinyl)-2-[2-[4-(N,N-dimethylcarbamimidoyl)phenyl]-2-oxoethyl]-5-(trifluoromethyl)benzamide has a molecular weight of 533.35 g/mol, XLogP of 5.43, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-pyridinyl)-2-[2-[4-(N,N-dimethylcarbamimidoyl)phenyl]-2-oxoethyl]-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 159283407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).